N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide

C15H16N2O3S — CID 2800757

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCC#N)Cc2ccco2)cc1
InChIInChI=1S/C15H16N2O3S/c1-13-5-7-15(8-6-13)21(18,19)17(10-3-9-16)12-14-4-2-11-20-14/h2,4-8,11H,3,10,12H2,1H3
InChIKeyDXARNNXPZGFKHX-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.69
Rot. Bonds6

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide (PubChem CID 2800757) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
PubChem CID2800757
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCC#N)Cc2ccco2)cc1
InChIInChI=1S/C15H16N2O3S/c1-13-5-7-15(8-6-13)21(18,19)17(10-3-9-16)12-14-4-2-11-20-14/h2,4-8,11H,3,10,12H2,1H3
InChIKeyDXARNNXPZGFKHX-UHFFFAOYSA-N
XLogP2.69
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 2905675
N1-(2-cyanoethyl)-N1-(2-furylmethyl)-3,4-dimethoxybenzene-1-sulfonamide
CID 2800759
N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171280
Benzene-1,4-disulfonic acid 1-[(2-chloro-benzyl)-furan-2-ylmethyl-amide] 4-dimethylamide
CID 648196
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
1-[(3,4-Dimethylphenyl)sulfonyl]-4-(2-furylmethyl)piperazine
CID 17376577
N-(2-Cyanoethyl)-N-(2-furylmethyl)methanesulfonamide
CID 557241
N-Furan-2-ylmethyl-4-(4-methyl-piperidine-1-sulfonyl)-benzamide
CID 1044182
1-[(4-Butylphenyl)sulfonyl]-4-(2-furoyl)piperazine
CID 3554017
2-Furanyl-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methanone
CID 3846584
N-Furan-2-ylmethyl-4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-benzamide
CID 645494
4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2822938

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide (CID 2800757) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCC#N)Cc2ccco2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is DXARNNXPZGFKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-13-5-7-15(8-6-13)21(18,19)17(10-3-9-16)12-14-4-2-11-20-14/h2,4-8,11H,3,10,12H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 2800757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).